D122-0088 Screening compound: 5-[1-(2,5-dimethylbenzenesulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0088 Screening compound: 5-[1-(2,5-dimethylbenzenesulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0088 Screening compound: 5-[1-(2,5-dimethylbenzenesulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0088
5-[1-(2,5-dimethylbenzenesulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D122-0088

Molecular Formula

C28H28N6O3S (C28 H28 N6 O3 S)

Compound Name

5-[1-(2,5-dimethylbenzenesulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

IUPAC name

5-[1-(25-dimethylbenzenesulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Cc1cc(S(N(CC2)CCC2c2nc(O)c3nnn(Cc4cc5ccccc5cc4)c3n2)(=O)=O)c(C)cc1

InChI

InChI=1S/C28H28N6O3S/c1-18-7-8-19(2)24(15-18)38(36,37)33-13-11-22(12-14-33)26-29-27-25(28(35)30-26)31-32-34(27)17-20-9-10-21-5-3-4-6-23(21)16-20/h3-10,15-16,22H,11-14,17H2,1-2H3,(H,29,30,35)

InChI Key

FDGUESZOOHLQOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-5.16

Polar Surface Area

93.993

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D122-0088 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0088?
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What is the minimum amount of D122-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0088
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D122-0088 available by request